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butanoic acid, 4-[[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-3-oxo-, ethyl ester

View entire compound with spectra: 1 NMR

butanoic acid, 4-[[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-3-oxo-, ethyl ester
SpectraBase Compound ID 7P78YmidFvz
InChI InChI=1S/C26H24ClN3O5S3/c1-4-34-19-9-6-16(7-10-19)30-24(33)22-23(28-25(30)37-14-18(31)13-21(32)35-5-2)29(26(36)38-22)17-8-11-20(27)15(3)12-17/h6-12H,4-5,13-14H2,1-3H3
InChIKey QLBKVBLCOWQZJH-UHFFFAOYSA-N
Mol Weight 590.13 g/mol
Molecular Formula C26H24ClN3O5S3
Exact Mass 589.056662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2jj4lmndZrf
Name butanoic acid, 4-[[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-3-oxo-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H24ClN3O5S3/c1-4-34-19-9-6-16(7-10-19)30-24(33)22-23(28-25(30)37-14-18(31)13-21(32)35-5-2)29(26(36)38-22)17-8-11-20(27)15(3)12-17/h6-12H,4-5,13-14H2,1-3H3
InChIKey QLBKVBLCOWQZJH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_405
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10328061